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RadialSchemeGC2 Struct Reference

#include <grid_atomic.h>

Inheritance diagram for RadialSchemeGC2:
RadialScheme

Public Member Functions

 RadialSchemeGC2 ()
 
virtual void init (int myNumber, int charge, real threshold)
 Initializes RadialSchemeGC2 grid generator. More...
 
virtual void generate (real *r, real *w)
 Generates grid point positions and weights using Gauss-Chebyshev quadrature of second kind. More...
 
- Public Member Functions inherited from RadialScheme
 RadialScheme (const char *n)
 
int size () const
 
virtual ~RadialScheme ()
 

Public Attributes

void * quadData
 
- Public Attributes inherited from RadialScheme
const char * name
 
int gridSize
 

Constructor & Destructor Documentation

◆ RadialSchemeGC2()

RadialSchemeGC2::RadialSchemeGC2 ( )
inline

Member Function Documentation

◆ generate()

void RadialSchemeGC2::generate ( real rad,
real wght 
)
virtual

Generates grid point positions and weights using Gauss-Chebyshev quadrature of second kind.

The rad and wght arrays are filled in.

Implements RadialScheme.

References RadialScheme::gridSize, template_blas_cos(), template_blas_log(), and template_blas_sin().

◆ init()

void RadialSchemeGC2::init ( int  myNumber,
int  Z,
real  thrl 
)
virtual

Initializes RadialSchemeGC2 grid generator.

Determinates number of radial points to be used for Gauss-Chebyshev quadrature of second kind needed to integrate atom of specified Z number to specified threshold thrl.

Implements RadialScheme.

References RadialScheme::gridSize, template_blas_log10(), and template_blas_sqrt().

Member Data Documentation

◆ quadData

void* RadialSchemeGC2::quadData

The documentation for this struct was generated from the following files: